4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol

C18H20FNO2 — CID 82188579

IUPAC4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCN(Cc1ccccc1)C1c2cc(F)ccc2OCC1O
InChIInChI=1S/C18H20FNO2/c1-2-20(11-13-6-4-3-5-7-13)18-15-10-14(19)8-9-17(15)22-12-16(18)21/h3-10,16,18,21H,2,11-12H2,1H3
InChIKeyUATMYHGMSKACMU-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.14
Rot. Bonds4

About 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol

4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188579) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188579
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol
SMILESCCN(Cc1ccccc1)C1c2cc(F)ccc2OCC1O
InChIInChI=1S/C18H20FNO2/c1-2-20(11-13-6-4-3-5-7-13)18-15-10-14(19)8-9-17(15)22-12-16(18)21/h3-10,16,18,21H,2,11-12H2,1H3
InChIKeyUATMYHGMSKACMU-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dipropylamino)-6-fluoro-3,4-dihydro-2H-chromen-3-ol
CID 82188588
2-benzyl-2-ethyl-6-fluoro-3,4-dihydrochromen-4-ol
CID 114714156
(3aS,9bR)-2-benzyl-8-fluoro-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrole
CID 100984538
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
6-fluoro-2-(2-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714064
4-[benzyl(methyl)amino]-6,8-dimethyl-3,4-dihydro-2H-chromen-3-ol
CID 82188507
3-[bis(2-hydroxyethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82186946
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
4-fluoro-8,12,13-trioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
CID 102418336
8-chloro-4-(diethylamino)-3,4-dihydro-2H-chromen-3-ol
CID 82188571
(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69367669

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol (CID 82188579) is 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol is CCN(Cc1ccccc1)C1c2cc(F)ccc2OCC1O.
What is the InChIKey of 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is UATMYHGMSKACMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-20(11-13-6-4-3-5-7-13)18-15-10-14(19)8-9-17(15)22-12-16(18)21/h3-10,16,18,21H,2,11-12H2,1H3.
What are the key properties of 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol?
4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 301.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-6-fluoro-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).